1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine

C17H30N2 — CID 766837

IUPAC1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine
SMILESC1CCN(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1
InChIInChI=1S/C17H30N2/c1-2-8-18(9-3-1)16-6-10-19(11-7-16)17-13-14-4-5-15(17)12-14/h14-17H,1-13H2/t14-,15+,17+/m0/s1
InChIKeyNEIRHHUOEXWQHS-ZMSDIMECSA-N
MW262.44 g/mol
LogP3.13
Rot. Bonds2

About 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine (PubChem CID 766837) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine
PubChem CID766837
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine
SMILESC1CCN(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1
InChIInChI=1S/C17H30N2/c1-2-8-18(9-3-1)16-6-10-19(11-7-16)17-13-14-4-5-15(17)12-14/h14-17H,1-13H2/t14-,15+,17+/m0/s1
InChIKeyNEIRHHUOEXWQHS-ZMSDIMECSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine (CID 766837) is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine is C1CCN(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1.
What is the InChIKey of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine?
The InChIKey is NEIRHHUOEXWQHS-ZMSDIMECSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-8-18(9-3-1)16-6-10-19(11-7-16)17-13-14-4-5-15(17)12-14/h14-17H,1-13H2/t14-,15+,17+/m0/s1.
What are the key properties of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine?
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine has a molecular weight of 262.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 766837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).